3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione

C58H36N2O2 — CID 156568728

IUPAC3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
SMILESC=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1ccc(-n3c(=O)c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3=O)cc12
InChIInChI=1S/C58H36N2O2/c1-3-37-38-17-5-11-23-47(38)57(46(37)4-2)48-24-12-8-20-41(48)43-32-30-36(34-52(43)57)60-55(61)45-22-10-16-28-54(45)59(56(60)62)35-29-31-44-42-21-9-15-27-51(42)58(53(44)33-35)49-25-13-6-18-39(49)40-19-7-14-26-50(40)58/h3-34H,1-2H2
InChIKeyKEXOAJBLNKCOIB-UHFFFAOYSA-N
MW792.94 g/mol
LogP11.94
Rot. Bonds4

About 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione

3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione (PubChem CID 156568728) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
PubChem CID156568728
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
SMILESC=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1ccc(-n3c(=O)c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3=O)cc12
InChIInChI=1S/C58H36N2O2/c1-3-37-38-17-5-11-23-47(38)57(46(37)4-2)48-24-12-8-20-41(48)43-32-30-36(34-52(43)57)60-55(61)45-22-10-16-28-54(45)59(56(60)62)35-29-31-44-42-21-9-15-27-51(42)58(53(44)33-35)49-25-13-6-18-39(49)40-19-7-14-26-50(40)58/h3-34H,1-2H2
InChIKeyKEXOAJBLNKCOIB-UHFFFAOYSA-N
XLogP11.94
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 122491465
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one
CID 90382455
2',3'-bis(ethenyl)-6'-phenylspiro[fluorene-9,1'-indene]
CID 142340746
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione
CID 166096625
[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone
CID 145092813
9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986
9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 167069581
CID 134551753
CID 134551753
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387

Frequently Asked Questions

What is the IUPAC name of 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione?
The IUPAC name of 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione (CID 156568728) is 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione.
What is the SMILES notation for 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione?
The canonical SMILES for 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione is C=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1ccc(-n3c(=O)c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3=O)cc12.
What is the InChIKey of 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione?
The InChIKey is KEXOAJBLNKCOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-3-37-38-17-5-11-23-47(38)57(46(37)4-2)48-24-12-8-20-41(48)43-32-30-36(34-52(43)57)60-55(61)45-22-10-16-28-54(45)59(56(60)62)35-29-31-44-42-21-9-15-27-51(42)58(53(44)33-35)49-25-13-6-18-39(49)40-19-7-14-26-50(40)58/h3-34H,1-2H2.
What are the key properties of 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione?
3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione has a molecular weight of 792.94 g/mol, XLogP of 11.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione is sourced from PubChem (CID 156568728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).